ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate

C7H12O4 — CID 123166470

IUPACethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate
SMILESCCOC(=O)C1(OC)CC1O
InChIInChI=1S/C7H12O4/c1-3-11-6(9)7(10-2)4-5(7)8/h5,8H,3-4H2,1-2H3
InChIKeyMKDUCESUVQGGPN-UHFFFAOYSA-N
MW160.17 g/mol
LogP-0.30
Rot. Bonds3

About ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate

ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate (PubChem CID 123166470) has the molecular formula C7H12O4 and a molecular weight of 160.17 g/mol. Its IUPAC name is ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate
PubChem CID123166470
Molecular FormulaC7H12O4
Molecular Weight160.17 g/mol
Exact Mass160.07
IUPAC Nameethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate
SMILESCCOC(=O)C1(OC)CC1O
InChIInChI=1S/C7H12O4/c1-3-11-6(9)7(10-2)4-5(7)8/h5,8H,3-4H2,1-2H3
InChIKeyMKDUCESUVQGGPN-UHFFFAOYSA-N
XLogP-0.30
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.17
LogP ≤ 5-0.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 3-iodo-1-methoxycyclobutane-1-carboxylate
CID 130422583
diethyl 2-fluorocyclopropane-1,1-dicarboxylate
CID 134464391
ethyl 1-(cyclopropanecarbonyl)-3,3-dimethoxycyclobutane-1-carboxylate
CID 79555131
ethyl 4-methoxybicyclo[2.2.2]octane-1-carboxylate
CID 59379789
ethyl 3-fluoro-1-methylcyclobutane-1-carboxylate
CID 89136662
ethyl (1R)-2,2-dimethylcyclopropane-1-carboxylate
CID 11378554
cis-ethyl (1R,2S)-1-(aminomethyl)-2-cyclopropylcyclopropane-1-carboxylate
CID 129415808
trans-ethyl (1S,2R)-2-cyano-1-fluorocyclopropane-1-carboxylate
CID 134845665
ethyl 8-methyltricyclo[3.2.1.03,8]octane-3-carboxylate
CID 143508275
ethyl 1-ethyl-3,3-dimethoxycyclobutane-1-carboxylate
CID 170334363
2-bromo-2-ethoxycarbonylcyclopropane-1-carboxylic acid
CID 139621481
diethyl 2-propylcyclopropane-1,1-dicarboxylate
CID 14811904

Frequently Asked Questions

What is the IUPAC name of ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate?
The IUPAC name of ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate (CID 123166470) is ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate.
What is the SMILES notation for ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate?
The canonical SMILES for ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate is CCOC(=O)C1(OC)CC1O.
What is the InChIKey of ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate?
The InChIKey is MKDUCESUVQGGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O4/c1-3-11-6(9)7(10-2)4-5(7)8/h5,8H,3-4H2,1-2H3.
What are the key properties of ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate?
ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate has a molecular weight of 160.17 g/mol, XLogP of -0.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-hydroxy-1-methoxycyclopropane-1-carboxylate is sourced from PubChem (CID 123166470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).